(αS)-α-Hydrazinyl-3,4-dimethoxy-α-methylbenzenepropanoic acid

C₁₂H₁₈N₂O₄CAS 28860-96-0254.29 g/mol

Open in Covalent MOL file

Carboxylic acid Ether Primary amine Secondary amine

Properties

Molecular formula: C₁₂H₁₈N₂O₄
Molar mass: 254.29 g/mol
Exact mass: 254.1267 Da
logP: 0.55Crippen estimate
Polar surface area: 93.8 Å²
H-bond donors / acceptors: 3 / 5
Rotatable bonds: 6
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

28860-96-0

SMILES

COc1ccc(C[C@](C)(NN)C(=O)O)cc1OC

InChIKey

RPCRUCVXKKSQBD-LBPRGKRZSA-N

InChI

InChI=1S/C12H18N2O4/c1-12(14-13,11(15)16)7-8-4-5-9(17-2)10(6-8)18-3/h4-6,14H,7,13H2,1-3H3,(H,15,16)/t12-/m0/s1

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Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names

Benzenepropanoic acid, α-hydrazinyl-3,4-dimethoxy-α-methyl-, (αS)-
Benzenepropanoic acid, α-hydrazino-3,4-dimethoxy-α-methyl-, (S)-
Hydrocinnamic acid, α-hydrazino-3,4-dimethoxy-α-methyl-, L-
L-α-Hydrazino-α-methyl-β-(3,4-dimethoxyphenyl) propionic acid
L-α-Hydrazino-3,4-dimethoxy-α-methylbenzenepropanoic acid
L-α-Methyl-α-hydrazino-β-(3,4-dimethoxyphenyl)propionic acid

Work with (αS)-α-Hydrazinyl-3,4-dimethoxy-α-methylbenzenepropanoic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Same formula

Diethyl 2-propylimidazole-4,5-dicarboxylate144689-94-1 1-(1,1-Dimethylethyl) 2-methyl (2S,4S)-4-cyano-1,2-pyrrolidinedicarboxylate487048-28-2 N,N-Diethyl-p-phenylenediamine oxalate62637-92-7

Elsewhere

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